N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C22H24N6O3S2/c1-2-23-21-17-9-3-4-10-18(17)26-22(27-21)32-14-20(29)25-15-7-5-8-16(13-15)33(30,31)28-19-11-6-12-24-19/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,24,28)(H,25,29)(H,23,26,27)